benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate

C20H22N4O4 — CID 119104480

IUPACbenzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCn1ccc2ccn(CCNC(=O)CNC(=O)OCc3ccccc3)c(=O)c21
InChIInChI=1S/C20H22N4O4/c1-23-10-7-16-8-11-24(19(26)18(16)23)12-9-21-17(25)13-22-20(27)28-14-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3,(H,21,25)(H,22,27)
InChIKeyMUGDCIAOTTUODX-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.38
Rot. Bonds7

About benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate

benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 119104480) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate
PubChem CID119104480
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namebenzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCn1ccc2ccn(CCNC(=O)CNC(=O)OCc3ccccc3)c(=O)c21
InChIInChI=1S/C20H22N4O4/c1-23-10-7-16-8-11-24(19(26)18(16)23)12-9-21-17(25)13-22-20(27)28-14-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3,(H,21,25)(H,22,27)
InChIKeyMUGDCIAOTTUODX-UHFFFAOYSA-N
XLogP1.38
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate (CID 119104480) is benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate is Cn1ccc2ccn(CCNC(=O)CNC(=O)OCc3ccccc3)c(=O)c21.
What is the InChIKey of benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is MUGDCIAOTTUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-23-10-7-16-8-11-24(19(26)18(16)23)12-9-21-17(25)13-22-20(27)28-14-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3,(H,21,25)(H,22,27).
What are the key properties of benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 119104480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).